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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017046

Atroviolacegenin

Formula: C27H44O6  |  Mol. Weight: 464.60 g/mol

IUPAC: (1R,2S,4S,5'S,6R,7S,8R,9S,12S,13R,15R,16R,18S,19R)-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16,19-triol

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Overview

Molecular Formula C27H44O6
Molecular Weight 464.60 g/mol
Canonical SMILES CC1C2C(CC3C2(CCC4C3CC(C5C4(CC(C(C5)O)O)C)O)C)OC16CCC(CO6)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy